5GL2

Crystal structure of TON_0340 in complex with Ca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	295
Detector technology	CCD
Collection date	2012-01-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	106.840, 106.840, 364.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.030
R-factor	0.315
Rwork	0.219
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fc5
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.030	5.510	2.030
Rmerge	0.102	0.086	0.205
Number of reflections	124949
<I/σ(I)>	20.8
Completeness [%]	91.2	89.5	77.1
Redundancy	4.9	7.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	sodium acetate, 2-methyl-2,4-pentanediol, calcium choloride